2-(3,4-dihydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(3,4-dihydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(3,4-dihydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | 3049-0070 |
| Compound Name: | 2-(3,4-dihydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C16 H20 N2 O3 |
| Smiles: | CC12CN3CC(C)(CN(C1)C3c1ccc(c(c1)O)O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.2078 |
| logD: | 1.2033 |
| logSw: | -2.0236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.014 |
| InChI Key: | VVDSQKSXUFDPCN-UHFFFAOYSA-N |